N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

C15H20N2O5 — CID 7646991

IUPACN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@H]1COC2(CCCC2)O1
InChIInChI=1S/C15H20N2O5/c18-13(16-8-11-4-3-7-20-11)14(19)17-9-12-10-21-15(22-12)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8-10H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyASLLAMMPILDYKC-LBPRGKRZSA-N
MW308.33 g/mol
LogP0.70
Rot. Bonds4

About N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide

N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (PubChem CID 7646991) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
PubChem CID7646991
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC NameN-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide
SMILESO=C(NCc1ccco1)C(=O)NC[C@H]1COC2(CCCC2)O1
InChIInChI=1S/C15H20N2O5/c18-13(16-8-11-4-3-7-20-11)14(19)17-9-12-10-21-15(22-12)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8-10H2,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyASLLAMMPILDYKC-LBPRGKRZSA-N
XLogP0.70
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[(4-chlorophenyl)methyl]-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583975
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]furan-2-carboxamide
CID 41412119
N'-[(2-chlorophenyl)methyl]-N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647092
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 16955838
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 7646917
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 7645804
N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-propan-2-yloxamide
CID 7647064
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423725
N'-[4-(dimethylamino)phenyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647171
N'-cyclopropyl-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7646222

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The IUPAC name of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide (CID 7646991) is N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is O=C(NCc1ccco1)C(=O)NC[C@H]1COC2(CCCC2)O1.
What is the InChIKey of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
The InChIKey is ASLLAMMPILDYKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O5/c18-13(16-8-11-4-3-7-20-11)14(19)17-9-12-10-21-15(22-12)5-1-2-6-15/h3-4,7,12H,1-2,5-6,8-10H2,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide?
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide has a molecular weight of 308.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 7646991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).